N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide

C21H19FN2O3 — CID 132547220

IUPACN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(N(C)C(=O)c3ccncc3F)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-24(21(25)17-10-11-23-13-19(17)22)15-6-4-14(5-7-15)18-12-16(26-2)8-9-20(18)27-3/h4-13H,1-3H3
InChIKeyPSGHDWOVZICPFR-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 132547220) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID132547220
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(N(C)C(=O)c3ccncc3F)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-24(21(25)17-10-11-23-13-19(17)22)15-6-4-14(5-7-15)18-12-16(26-2)8-9-20(18)27-3/h4-13H,1-3H3
InChIKeyPSGHDWOVZICPFR-UHFFFAOYSA-N
XLogP4.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 132547220) is N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide is COc1ccc(OC)c(-c2ccc(N(C)C(=O)c3ccncc3F)cc2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is PSGHDWOVZICPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-24(21(25)17-10-11-23-13-19(17)22)15-6-4-14(5-7-15)18-12-16(26-2)8-9-20(18)27-3/h4-13H,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 132547220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).